Materials Data on V2GaSn2 by Materials Project

Abstract

V2GaSn2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 11-coordinate geometry to three V, four equivalent Ga, and four Sn atoms. There are one shorter (2.81 Å) and two longer (2.84 Å) V–V bond lengths. There are two shorter (2.57 Å) and two longer (2.69 Å) V–Ga bond lengths. There are a spread of V–Sn bond distances ranging from 2.76–2.91 Å. In the second V site, V is bonded in a 11-coordinate geometry to four V, one Ga, and six Sn atoms. Both V–V bond lengths are 2.80 Å. The V–Ga bond length is 2.65 Å. There are a spread of V–Sn bond distances ranging from 2.76–2.90 Å. Ga is bonded in a 11-coordinate geometry to five V, two equivalent Ga, and four equivalent Sn atoms. Both Ga–Ga bond lengths are 2.80 Å. There are two shorter (3.05 Å) and two longer (3.15 Å) Ga–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five V atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to five V and four equivalent Ga atoms.